trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[hydroxy-[8-(4-phenylphenoxy)octoxy]phosphoryl]oxy-4-keto-butyl]-trimethyl-ammonium Formula: C27H41NO7P+ MolecularWeight: 522.590701

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H40NO7P/c1-28(2,3)22-26(21-27(29)30)35-36(31,32)34-20-12-7-5-4-6-11-19-33-25-17-15-24(16-18-25)23-13-9-8-10-14-23/h8-10,13-18,26H,4-7,11-12,19-22H2,1-3H3,(H-,29,30,31,32)/p+1